NWChem 6.5 release

NWChem team is pleased to announce the 6.5 release of NWChem suite of computational chemistry codes. We would like to express our sincere thanks to all the authors and contributors who made this release possible. This release includes several new powerful capabilities.

NWChem 6.5 soon to be released

We have now entered the NWChem code freeze for release 6.5. Please refrain from checking in new development code and limit checkins to bug fixes. As of yet we have not branched the release. The plan is to stabilize the current development and branch the release later (end of August/beginning of September). This avoids duplication of work and checking fixes in in two places (the development branch and the release branch) as well as weird inconsistencies that may arise from forgotten checkins.

NWChem 6.3 release now available

On May 17, 2013 NWChem version 6.3 was released. An overview of the changes, added functionality, and bug fixes in this latest version can be found here.

NWChem highlighted in DOE Pulse

NWChem's efforts to solve chemistry challenges with high performance computing were highlighted in DOE Pulse.

NWChem 6.1.1 bug fix release now available

On June 26, 2012 NWChem version 6.1.1 was released. This version is solely a bug fix release with the same functionality as NWChem 6.1. A list of bug fixes in this latest version can be found here.

NWChem Schedules Tutorials and Hands-On Training

Centers or sites interested in hosting a workshop or tutorial with or without hands-on training, please contact Bert de Jong.

The NWChem developers will be holding:

Tutorials are being planned in the US, India, and Italy. Updates will be provided soon.

A three-day tutorial and hands-on training at A*STAR in Singapore on October 23-25, 2012

A two-day tutorial and hands-on training at NCSA in Urbana on December 1-2, 2010

A 2-hour tutorial at the Pacific Northwest AVS meeting held at PNNL on September 15, 2010

NWChem 6.1 has been released

On January 27, 2012 NWChem version 6.1 was released. An overview of the changes, added functionality, and bug fixes in this latest version can be found here.

PCCP Perspective Published

Developers of NWChem at EMSL were the lead authors on a perspective article in the highly ranked PCCP journal on utilizing high performance computing for chemistry and parallel computational chemistry. The article and cover were published in Phys. Chem. Chem. Phys. 12, 6896 (2010).

NWChem released as open-source

On September 30, 2010 NWChem version 6.0 was released. This version marks a transition of NWChem to an open-source software package. The software is being released under the [Educational Community License 2.0] (ECL 2.0). Users can download the source code and a select set of binaries from this site.